Advanced Topics in Theoretical Chemical Physics

✍ Scribed by Ilya Prigogine (auth.), Jean Maruani, Roland Lefebvre, Erkki J. Brändas (eds.)

• Publisher: Springer Netherlands
• Year: 2003
• Tongue: English
• Leaves: 528
• Series: Progress in Theoretical Chemistry and Physics 12
• Edition: 1
• Category: Library

✦ Synopsis

Advanced Topics in Theoretical Chemical Physicsis a collection of 20 selected papers from the scientific presentations of the Fourth Congress of the International Society for Theoretical Chemical Physics (ISTCP) held at Marly-le-Roi, France, in July 2002.

Advanced Topics in Theoretical Chemical Physics encompasses a broad spectrum in which scientists place special emphasis on theoretical methods in chemistry and physics. The chapters in the book are divided into five sections:

I: Advances Chemical Thermodynamics

II: Electronic Structure of Molecular Systems

III: Molecular Interaction and Dynamics

IV: Condensed Matter

V: Playing with Numbers

This book is an invaluable resource for all academics and researchers interested in theoretical, quantum or statistical, chemical physics or physical chemistry. It presents a selection of some of the most advanced methods, results and insights in this exciting area.

✦ Table of Contents

Front Matter....Pages i-xx
Front Matter....Pages 1-1
Dynamical Roots of Time Symmetry Breaking....Pages 3-6
Non-Markovian Quantum Dissipation in the Presence of External Fields....Pages 7-40
Is the Labyrinthine Instability a First-Order Transition ?....Pages 41-50
Front Matter....Pages 51-51
Electronic Structure of Atoms, Molecules, and Clusters: Hartree-Fock and Beyond....Pages 53-70
Brillouin-Wigner Expansions in Quantum Chemistry: Bloch-Like and Lippmann-Schwinger-Like Equations....Pages 71-117
New Alternatives for Electronic Structure Calculations: Renormalized, Extended, and Generalized Coupled-Cluster Theories....Pages 119-206
Physical Principles of Constructing Hybrid QM/MM Procedures....Pages 207-245
What is Resonance?....Pages 247-267
Front Matter....Pages 269-269
Modeling Quantum Resonances: I. Dynamics of Interacting Resonances....Pages 271-294
Modeling Quantum Resonances: II. Overview of Collision Theory....Pages 295-310
Non-Hermitian Quantum Mechanics: Theory and Experiments Not Amenable to Conventional QM....Pages 311-338
Non-Adiabatic Molecular Dynamics and Quantum Solvent Effects....Pages 339-359
Search for Isotope Effects in ΔJ = 1 Staggering Patterns of Diatomic Molecules....Pages 361-377
Theoretical Studies of Heterogeneous Reactions Important in Atmospheric Ozone Depletion....Pages 379-390
Front Matter....Pages 391-391
Spectra of Foreign Atoms in Liquid Helium: Current Theoretical Understanding....Pages 393-408
Deformed Harmonic Oscillators for Metal Clusters and Balian-Bloch Theory....Pages 409-428
Disorder Effects and Energy Relaxation in Quantum Systems: One-Dimensional Frenkel Excitons in Molecular Aggregates....Pages 429-443
Fractal Properties of Polymers on Lattices....Pages 445-455
Front Matter....Pages 457-457
A Pythagorean Approach to Problems of Periodicity in Chemical and Nuclear Physics....Pages 459-478
Science and Music: From the Music of the Depths to the Music of the Spheres....Pages 479-514
Back Matter....Pages 515-521

✦ Subjects

Physical Chemistry